N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

C17H15N5OS — CID 704904

IUPACN-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)cc1
InChIInChI=1S/C17H15N5OS/c1-11-15(22-9-3-8-18-16(22)19-11)14-10-24-17(21-14)20-12-4-6-13(23-2)7-5-12/h3-10H,1-2H3,(H,20,21)
InChIKeyFPNCULXDZHFPDE-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.91
Rot. Bonds4

About N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine

N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (PubChem CID 704904) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
PubChem CID704904
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)cc1
InChIInChI=1S/C17H15N5OS/c1-11-15(22-9-3-8-18-16(22)19-11)14-10-24-17(21-14)20-12-4-6-13(23-2)7-5-12/h3-10H,1-2H3,(H,20,21)
InChIKeyFPNCULXDZHFPDE-UHFFFAOYSA-N
XLogP3.91
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine (CID 704904) is N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
The InChIKey is FPNCULXDZHFPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-11-15(22-9-3-8-18-16(22)19-11)14-10-24-17(21-14)20-12-4-6-13(23-2)7-5-12/h3-10H,1-2H3,(H,20,21).
What are the key properties of N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine?
N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine has a molecular weight of 337.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 704904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).